chempirical

2,4-Dinitroanisole

C7H6N2O5CAS 119-27-7198.13 g/mol

Open in Covalent MOL file
ON+OO−N+OO−
EtherNitro

Properties

Molecular formula
C7H6N2O5
Molar mass
198.13 g/mol
Exact mass
198.0277 Da
Melting point
94.5 °C
Boiling point
206 °C
logP
1.51Crippen estimate
Polar surface area
95.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Identifiers

CAS number
119-27-7
SMILES
COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
CVYZVNVPQRKDLW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzene, 1-methoxy-2,4-dinitro-
  • Anisole, 2,4-dinitro-
  • 1-Methoxy-2,4-dinitrobenzene
  • Dinitroanisole
  • 2,4-Dinitrophenyl methyl ether
  • 2,4-Dinitroanisol
  • NSC 8733
  • 2,4-Dinitro-1-methoxybenzene
  • 2,4-Dinitrophenol-methyl ether

Work with 2,4-Dinitroanisole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dimethoxy-4-nitrobenzene709-09-175 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-471 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-869 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-969 % similar 2-Methoxy-5-nitroaniline99-59-269 % similar O-(2,4-Dinitrophenyl)hydroxylamine17508-17-768 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-367 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-667 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Methoxy-3,5-dinitrobenzene5327-44-6 2-Methyl-4,6-dinitrophenol534-52-1 2,6-Dinitro-P-cresol609-93-8 3,5-Dinitrobenzenemethanol71022-43-0

Elsewhere

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